7-chloranyl-2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzoxazole

Systemtic Name: 7-chloranyl-2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzoxazole Openeye Name: 7-chloro-2-[4-(2-pyridyl)but-3-ynyl]-1,3-benzoxazole CAS Name: 7-chloro-2-[4-(2-pyridinyl)but-3-ynyl]-1,3-benzoxazole IUPAC Name: 7-chloro-2-(4-pyridin-2-ylbut-3-ynyl)-1,3-benzoxazole Traditional Name: 7-chloro-2-[4-(2-pyridyl)but-3-ynyl]-1,3-benzoxazole Formula: C16H11ClN2O MolecularWeight: 282.72434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CCCC2=NC3=C(O2)C(=CC=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)C#CCCC2=NC3=C(O2)C(=CC=C3)Cl

InChI

InChI=1S/C16H11ClN2O/c17-13-8-5-9-14-16(13)20-15(19-14)10-2-1-6-12-7-3-4-11-18-12/h3-5,7-9,11H,2,10H2